5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide

C16H15BrN2O3S — CID 66546898

IUPAC5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc3cc(Br)ccc3[nH]2)cc1
InChIInChI=1S/C16H15BrN2O3S/c1-22-14-5-2-11(3-6-14)10-18-23(20,21)16-9-12-8-13(17)4-7-15(12)19-16/h2-9,18-19H,10H2,1H3
InChIKeyYWODJBNLSXFKIU-UHFFFAOYSA-N
MW395.28 g/mol
LogP3.42
Rot. Bonds5

About 5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide

5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide (PubChem CID 66546898) has the molecular formula C16H15BrN2O3S and a molecular weight of 395.28 g/mol. Its IUPAC name is 5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
PubChem CID66546898
Molecular FormulaC16H15BrN2O3S
Molecular Weight395.28 g/mol
Exact Mass394.00
IUPAC Name5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc3cc(Br)ccc3[nH]2)cc1
InChIInChI=1S/C16H15BrN2O3S/c1-22-14-5-2-11(3-6-14)10-18-23(20,21)16-9-12-8-13(17)4-7-15(12)19-16/h2-9,18-19H,10H2,1H3
InChIKeyYWODJBNLSXFKIU-UHFFFAOYSA-N
XLogP3.42
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide (CID 66546898) is 5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide is COc1ccc(CNS(=O)(=O)c2cc3cc(Br)ccc3[nH]2)cc1.
What is the InChIKey of 5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide?
The InChIKey is YWODJBNLSXFKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3S/c1-22-14-5-2-11(3-6-14)10-18-23(20,21)16-9-12-8-13(17)4-7-15(12)19-16/h2-9,18-19H,10H2,1H3.
What are the key properties of 5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide?
5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide has a molecular weight of 395.28 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide is sourced from PubChem (CID 66546898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).